(2-carboxy-2-ethoxy-4-methyl-pentyl)-(naphthalen-1-ylsulfanylmethyl)-oxidanylidene-phosphanium

Systemtic Name: (2-carboxy-2-ethoxy-4-methyl-pentyl)-(naphthalen-1-ylsulfanylmethyl)-oxidanylidene-phosphanium Openeye Name: (2-carboxy-2-ethoxy-4-methyl-pentyl)-(1-naphthylsulfanylmethyl)-oxo-phosphonium CAS Name: (2-carboxy-2-ethoxy-4-methylpentyl)-[(1-naphthalenylthio)methyl]-oxophosphonium IUPAC Name: (2-carboxy-2-ethoxy-4-methylpentyl)-(naphthalen-1-ylsulfanylmethyl)-oxophosphanium Traditional Name: (2-carboxy-2-ethoxy-4-methyl-pentyl)-keto-[(1-naphthylthio)methyl]phosphonium Formula: C20H26O4PS+ MolecularWeight: 393.456801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C)C)(C[P+](=O)CSC1=CC=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCOC(CC(C)C)(C[P+](=O)CSC1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C20H25O4PS/c1-4-24-20(19(21)22,12-15(2)3)13-25(23)14-26-18-11-7-9-16-8-5-6-10-17(16)18/h5-11,15H,4,12-14H2,1-3H3/p+1